SMILES:
CCN(CC)CCO[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2)CC1Molecular Processing
Molecular formula
C19H31BrN2O3S
Molecular weight
447.44
Exact mass
446.1239
XLogP
3.74
TPSA
49.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
108.87
Supplementary Information
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